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Re: TOO MANY ITERATIONS IN CPKS

sanya
sanya@photonics.ru


Actually, QM+EFP2 optimizations are not programmed yet (neither in GAMESS, nor in Firefly or QChem), so the error.

On Sat Mar 9 '19 4:52pm, Andrey Degtyarev wrote
-----------------------------------------------
>Hi
>I'm trying to optimize geometry with EFP.
>Program terminated whith error:

> ..... SOLVING CPHF IN THE AO BASIS .....
> .....   30 ITERATIONS CARRIED OUT    .....

> FATAL: TOO MANY ITERATIONS IN CPKS!

> ADDRESS 0xEFF9504B HAS INITIATED PROGRAM ABORT BECAUSE OF FATAL ERROR(S)

>I could not find where to increase the number of iterations in CPKS
>Input adn output attached


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